Cas no 74837-16-4 (dimethyl 3,3''-(2-oxocyclohexane-1,3-diyl)dipropanoate)
74837-16-4 structure
Product Name:dimethyl 3,3''-(2-oxocyclohexane-1,3-diyl)dipropanoate
CAS No:74837-16-4
MF:C14H22O5
MW:270.321485042572
CID:980485
PubChem ID:289583
Update Time:2025-04-19
dimethyl 3,3''-(2-oxocyclohexane-1,3-diyl)dipropanoate Chemical and Physical Properties
Names and Identifiers
-
- dimethyl 3,3''-(2-oxocyclohexane-1,3-diyl)dipropanoate
- 1,3-Cyclohexanedipropanoic acid, 2-oxo-, dimethyl ester
- methyl 3-[3-(3-methoxy-3-oxopropyl)-2-oxocyclohexyl]propanoate
- DTXSID10302522
- SCHEMBL22754195
- DJURADWGRQFBAB-UHFFFAOYSA-N
- NSC151760
- NSC-151760
- 74837-16-4
-
- Inchi： 1S/C14H22O5/c1-18-12(15)8-6-10-4-3-5-11(14(10)17)7-9-13(16)19-2/h10-11H,3-9H2,1-2H3
- InChI Key： DJURADWGRQFBAB-UHFFFAOYSA-N
- SMILES： O=C1C(CCC(=O)OC)CCCC1CCC(=O)OC
Computed Properties
- Exact Mass: 270.14676
- Monoisotopic Mass: 270.14672380g/mol
- Isotope Atom Count: 0
- Hydrogen Bond Donor Count: 0
- Hydrogen Bond Acceptor Count: 5
- Heavy Atom Count: 19
- Rotatable Bond Count: 8
- Complexity: 307
- Covalently-Bonded Unit Count: 1
- Defined Atom Stereocenter Count: 0
- Undefined Atom Stereocenter Count : 2
- Defined Bond Stereocenter Count: 0
- Undefined Bond Stereocenter Count: 0
- XLogP3: 1.4
- Topological Polar Surface Area: 69.7?2
Experimental Properties
- PSA: 69.67
dimethyl 3,3''-(2-oxocyclohexane-1,3-diyl)dipropanoate Related Literature
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Vishwesh Venkatraman,Marco Foscato,Vidar R. Jensen,Bj?rn K?re Alsberg J. Mater. Chem. A, 2015,3, 9851-9860
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Hanie Hashtroudi,Ian D. R. Mackinnon J. Mater. Chem. C, 2020,8, 13108-13126
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Abdelaziz Houmam,Emad M. Hamed Chem. Commun., 2012,48, 11328-11330
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Jason Y. C. Lim,Yong Yu,Guorui Jin,Kai Li,Yi Lu,Jianping Xie Nanoscale Adv., 2020,2, 3921-3932
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J. Xu,T. J. Carrocci,A. A. Hoskins Chem. Commun., 2016,52, 549-552
74837-16-4 (dimethyl 3,3''-(2-oxocyclohexane-1,3-diyl)dipropanoate) Related Products
- 24851-98-7(Methyl dihydrojasmonate)
- 6297-22-9(methyl 4-oxocyclohexane-1-carboxylate)
- 13672-64-5(Methyl 2-(2-oxocyclohexyl)acetate)
- 13148-83-9(Methyl 3-oxocyclohexanecarboxylate)
- 17607-00-0(Methyl 4-oxocycloheptanecarboxylate)
- 17159-79-4(4-(Ethoxycarbonyl)-1-cyclohexanone)
- 39265-95-7(Methyl 3-acetyl-4-oxopentanoate)
- 13984-53-7(Methyl 4-acetyl-5-oxohexanoate)
- 2630-39-9((-) Methyl Dihydrojasmonate)
- 2098070-20-1(2-(3-(Pyridin-3-yl)-1H-pyrazol-1-yl)acetimidamide)
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